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CAS 19898-41-0 H-D-GLU(OBZL)-OBZL P-TOSYLATE molecular structure lightbox
CAS RN: 19898-41-0

H-D-GLU(OBZL)-OBZL P-TOSYLATE

  • Product code: SSC-093736
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19898-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

19898-41-0 / dibenzyl (2R)-2-aminopentanedioate;4-methylbenzenesulfonic acid

Standard CAS: 19898-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19898-41-0
Multi CAS
No
Molecular Formula
C26H29NO7S
Molecular Weight
499.600000
Exact Mass
499.166473
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CC[C@H](C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C19H21NO4.C7H8O3S/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-14,20H2;2-5H,1H3,(H,8,9,10)/t17-;/m1./s1
InChIKey
HVZUAIVKRYGQRM-UNTBIKODSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
130.68
TPSA
132.99

LogP / Solubility

WLOGP
3.82
MLOGP
3.4
XLogP3
3.82
Consensus LogP
3.68
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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